SCHEMBL8129334

SCHEMBL8129334

Cc1cc(C(=O)O)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
DTYMK P23919 1/20 0.47
ALDH1A1 P00352 3/20 0.44
CASP6 P55212 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR35 Q9HC97 2/20 0.44
POLB P06746 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8136865 1.00 TSHR (0.58) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL395696 0.90 TSHR (0.56) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL272650 0.90 TSHR (0.61) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL4180430 0.90 TSHR (0.61) TSHRL3MBTL1TDP1CES2CES1
Hydrochloric Acid SCHEMBL11774750 0.89 TSHR (0.59) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL27603247 0.88 PDGFRB (0.55) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL8526398 0.87 TSHR (0.53) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL3224523 0.87 TSHR (0.53) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL26841751 0.86 TSHR (0.56) TSHRL3MBTL1TDP1CES2CES1
SCHEMBL31558212 0.85 TSHR (0.51) TSHRL3MBTL1TDP1CES2CES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739668-A1 1,3-ISOINDOLINEDIONE DERIVATIVES AND HETEROAROMATIC ANALOGUES FOR STIMULATING ENDOTHELIAL CELL-PERICYTE INTERACTION Academisch Ziekenhuis Leiden (h.o.d.n. LUMC) (NL) 2026-05-13 EP disclosed
WO-2025014359-A1 1,3-ISOINDOLINEDIONE DERIVATIVES AND HETEROAROMATIC ANALOGUES FOR STIMULATING ENDOTHELIAL CELL-PERICYTE INTERACTION ACADEMISCH ZIEKENHUIS LEIDEN (h.o.d.n. LUMC) (NL) 2025-01-16 WO disclosed
CN-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 CN disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3628045-B1 COMPOUNDS UNIV SHEFFIELD (GB) 2024-07-03 EP disclosed
EP-3426246-B1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2024-05-01 EP disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
CN-114007695-A As AM2Heterocyclic spiro-compounds as receptor inhibitors 谢菲尔德大学 2022-02-01 CN disclosed
EP-3880308-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS The University Of Sheffield (GB) 2021-09-22 EP disclosed
US-20210113534-A1 COMPOUNDS THE UNIVERSITY OF SHEFFIELD (GB) 2021-04-22 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed
EP-1345943-B1 INHIBITORS OF PAPILLOMA VIRUS BOEHRINGER INGELHEIM CA LTD (CA) 2007-03-21 EP disclosed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210113534-A1 COMPOUNDS MRGPRX2, MC2R, ADM2 TSHR 304/4885L3MBTL1 3736/4885TDP1 3875/4885
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS REV1, CDKN1A, RB1 TSHR 3563/4885L3MBTL1 1386/4885TDP1 1049/4885
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 TSHR 171/4885L3MBTL1 4723/4885TDP1 4742/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.